F081-1431 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-phenethylacetamide

F081-1431 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-phenethylacetamide
F081-1431 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1431
2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-phenethylacetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F081-1431

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-phenethylacetamide

IUPAC name

2-({55-dimethyl-617-dioxa-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-yl}sulfanyl)-N-(2-phenylethyl)acetamide

SMILES

CC(C)(Cc1n2)OCc1cc1c2oc2c1ncnc2SCC(NCCc1ccccc1)=O

InChI

InChI=1S/C24H24N4O3S/c1-24(2)11-18-16(12-30-24)10-17-20-21(31-22(17)28-18)23(27-14-26-20)32-13-19(29)25-9-8-15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,25,29)

InChI Key

KULSDLYVMFWUFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06599632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.56

Polar Surface Area

71.033

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F081-1431 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F081-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1431?
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What is the minimum amount of F081-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1431
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F081-1431 available by request